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<div>Dear bamidele ibrahim:
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It is up to you to set the reference level for a semiconductor as long as within the gap, as prof. Baroni said. In addition, the reference energy is only used by plotband.x when generating *.ps file, not used when generating *.xmgr file. I think the *.xmgr file is more useful for further plotting. Thus, it is unnecessary to pay much attention to the so called "Fermi energy".
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Best Wishes!
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Yours Sincerely
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L. F. Huang
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</FONT><FONT color=#444444>> Date: Fri, 10 Jun 2011 07:52:59 +0200
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</FONT><FONT color=#444444>> From: Stefano Baroni
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</FONT><FONT color=#444444>> Subject: Re: [Pw_forum] how to get fermi energy for semiconductor in
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</FONT><FONT color=#444444>> pwscf calculation
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</FONT><FONT color=#444444>> I do not know what plotband uses the Fermi energy for, but have you tried to just give any energy within the gap? (which you have) Probably any other value would also do, but just a little trial-and-error has never harmed anybody ...
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</FONT><FONT color=#444444>> Also, it would be nice if you were to uveil your identity, affiliatio, etc. when posting to this mailing list.
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</FONT><FONT color=#444444>> Regards - SB
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</FONT><FONT color=#444444>>
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------
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L.F.Huang(黄良锋) DFT and phonon physics
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Add: Research Laboratory for Computational Materials Sciences,
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Instutue of Solid State Physics,the Chinese Academy of Sciences,
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Tel: 86-551-5591464-326(office)
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Fax: 86-551-5591434
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Our group URL: <A href=http://theory.issp.ac.cn target=_blank>http://theory.issp.ac.cn</A>
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Scientific blog: <A href=http://blog.sciencenet.cn/home.php?mod=space&uid=345795 target=_blank>http://blog.sciencenet.cn/home.php?mod=space&uid=345795</A>
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